[1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate

Systemtic Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate Openeye Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [1-(1-methoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-methoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C25H28O3 MolecularWeight: 376.48802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OC

InChI

InChI=1S/C25H28O3/c1-4-8-20-11-13-23(14-12-20)24(26)28-25(19(2)27-3)17-15-22(16-18-25)21-9-6-5-7-10-21/h5-7,9-19,22H,4,8H2,1-3H3